About [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (PubChem CID 165040907) has the molecular formula C254H417N5O84
and a molecular weight of 4885.08 g/mol. Its IUPAC name is [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Frequently Asked Questions
What is the IUPAC name of [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate?
The IUPAC name of [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (CID 165040907) is [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
What is the SMILES notation for [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate?
The canonical SMILES for [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is CC(=O)CCCCCCCCCCC(=O)N[C@H]1C(CO)O[C@@H](OC(=O)[C@]23CCC(C)(C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)C5CCC4(C)[C@]2(C)C[C@H]3O)C(O[C@@H]2O[C@H](C)[C@H](O[C@@H]3OC[C@@H](O)C(O)C3O)C(O)C2O)C1O.CCCCCCCCCCCC(=O)N[C@H]1C(CO)O[C@@H](OC(=O)[C@]23CCC(C)(C)CC2C2=CCC4C5(C)CC[C@H](O)[C@](C)(C=O)C5CCC4(C)[C@]2(C)C[C@H]3O)C(O[C@@H]2O[C@H](C)[C@H](O[C@@H]3OC[C@@H](O)C(O)C3O)C(O)C2O)C1O.CC[C@@H]1OCC(O)(OCCCCCCCCCCC(=O)N[C@H]2C(CO)O[C@@H](OC(=O)[C@]34CCC(C)(C)CC3C3=CCC5C6(C)CC[C@H](O)[C@](C)(C=O)C6CCC5(C)[C@]3(C)C[C@H]4O)C(O[C@@H]3O[C@H](C)[C@H](O[C@@H]4OC[C@@H](O)C(O)C4O)C(O)C3O)C2O)C1O.CC[C@@H]1OCC(O)(O[C@@H](C[C@H](O)CC(=O)N[C@@H](C[C@H](O)CC(=O)N[C@H]2C(CO)O[C@@H](OC(=O)[C@]34CCC(C)(C)CC3C3=CCC5C6(C)CC[C@H](O)[C@](C)(C=O)C6CCC5(C)[C@]3(C)C[C@H]4O)C(O[C@@H]3O[C@H](C)[C@H](O[C@@H]4OC[C@@H](O)C(O)C4O)C(O)C3O)C2O)[C@@H](C)CC)[C@@H](C)CC)C1O.
What is the InChIKey of [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate?
The InChIKey is OCOGKVKWWOYKIY-JHYLHKJOSA-N. The full InChI is InChI=1S/C71H118N2O25.C64H105NO22.C60H97NO19.C59H97NO18/c1-13-34(4)41(72-50(81)27-38(77)25-44(35(5)14-2)98-71(90)33-92-43(15-3)60(71)88)24-37(76)26-51(82)73-52-45(30-74)94-63(59(54(52)84)96-62-57(87)55(85)58(36(6)93-62)95-61-56(86)53(83)42(78)31-91-61)97-64(89)70-23-22-65(7,8)28-40(70)39-16-17-47-66(9)20-19-48(79)67(10,32-75)46(66)18-21-68(47,11)69(39,12)29-49(70)80;1-9-38-53(77)64(79,33-81-38)82-27-17-15-13-11-10-12-14-16-18-44(71)65-45-39(30-66)84-56(52(47(45)73)86-55-50(76)48(74)51(34(2)83-55)85-54-49(75)46(72)37(68)31-80-54)87-57(78)63-26-25-58(3,4)28-36(63)35-19-20-41-59(5)23-22-42(69)60(6,32-67)40(59)21-24-61(41,7)62(35,8)29-43(63)70;1-32(64)17-15-13-11-9-10-12-14-16-18-42(68)61-43-37(29-62)77-53(50(45(43)70)79-52-48(73)46(71)49(33(2)76-52)78-51-47(72)44(69)36(65)30-75-51)80-54(74)60-26-25-55(3,4)27-35(60)34-19-20-39-56(5)23-22-40(66)57(6,31-63)38(56)21-24-58(39,7)59(34,8)28-41(60)67;1-9-10-11-12-13-14-15-16-17-18-41(66)60-42-36(29-61)75-52(49(44(42)68)77-51-47(71)45(69)48(32(2)74-51)76-50-46(70)43(67)35(63)30-73-50)78-53(72)59-26-25-54(3,4)27-34(59)33-19-20-38-55(5)23-22-39(64)56(6,31-62)37(55)21-24-57(38,7)58(33,8)28-40(59)65/h16,32,34-38,40-49,52-63,74,76-80,83-88,90H,13-15,17-31,33H2,1-12H3,(H,72,81)(H,73,82);19,32,34,36-43,45-56,66,68-70,72-77,79H,9-18,20-31,33H2,1-8H3,(H,65,71);19,31,33,35-41,43-53,62,65-67,69-73H,9-18,20-30H2,1-8H3,(H,61,68);19,31-32,34-40,42-52,61,63-65,67-71H,9-18,20-30H2,1-8H3,(H,60,66)/t34-,35-,36+,37-,38-,40?,41-,42+,43-,44-,45?,46?,47?,48-,49+,52-,53?,54?,55?,56?,57?,58-,59?,60?,61-,62-,63-,66?,67+,68?,69+,70+,71?;34-,36?,37-,38+,39?,40?,41?,42+,43-,45+,46?,47?,48?,49?,50?,51+,52?,53?,54+,55+,56+,59?,60-,61?,62-,63-,64?;33-,35?,36-,37?,38?,39?,40+,41-,43+,44?,45?,46?,47?,48?,49+,50?,51+,52+,53+,56?,57-,58?,59-,60-;32-,34?,35-,36?,37?,38?,39+,40-,42+,43?,44?,45?,46?,47?,48+,49?,50+,51+,52+,55?,56-,57?,58-,59-/m0111/s1.
What are the key properties of [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate?
[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate has a molecular weight of 4885.08 g/mol, XLogP of 11.22, 86 rotatable bonds, 47 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-(dodecanoylamino)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[[(3S,5S,6S)-5-[[(3S,5S,6S)-5-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxy-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-[11-[(5S)-5-ethyl-3,4-dihydroxyoxolan-3-yl]oxyundecanoylamino]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate;[(2S,5R)-3-[(2S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(12-oxotridecanoylamino)oxan-2-yl] (4aR,5R,6aS,9R,10S)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is sourced from PubChem (CID 165040907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).